1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one

C19H24N2O2 — CID 162636051

IUPAC1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1ccc2oc(CN3CCCC34CCCNC4=O)c(C)c2c1
InChIInChI=1S/C19H24N2O2/c1-13-5-6-16-15(11-13)14(2)17(23-16)12-21-10-4-8-19(21)7-3-9-20-18(19)22/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,20,22)
InChIKeyZIRLTXKXQDFMBD-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.29
Rot. Bonds2

About 1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one

1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162636051) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162636051
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1ccc2oc(CN3CCCC34CCCNC4=O)c(C)c2c1
InChIInChI=1S/C19H24N2O2/c1-13-5-6-16-15(11-13)14(2)17(23-16)12-21-10-4-8-19(21)7-3-9-20-18(19)22/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,20,22)
InChIKeyZIRLTXKXQDFMBD-UHFFFAOYSA-N
XLogP3.29
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one (CID 162636051) is 1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one is Cc1ccc2oc(CN3CCCC34CCCNC4=O)c(C)c2c1.
What is the InChIKey of 1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is ZIRLTXKXQDFMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-5-6-16-15(11-13)14(2)17(23-16)12-21-10-4-8-19(21)7-3-9-20-18(19)22/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,20,22).
What are the key properties of 1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 312.41 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162636051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).